<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-15 16:08:53 UTC</creation_date>
  <update_date>2026-08-19 16:04:45 UTC</update_date>
  <accession/>
  <common_name>Zalunfiban</common_name>
  <class>SmallMolecule</class>
  <description>Zalunfiban belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C16H18N8O2S and an average molecular weight of 386.43 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C16H18N8O2S</chemical_formula>
  <average_molecular_weight>386.43</average_molecular_weight>
  <monisotopic_moleculate_weight>386.127343026</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1448313-27-6</cas_registry_number>
  <smiles>NCC(=O)NC1=CN=CC(=C1)C1=NN2C(S1)=NC(=CC2=O)N1CCNCC1</smiles>
  <inchi>InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25)</inchi>
  <inchikey>LTVKZVGAALCRFW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>386.43</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>386.127343026</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NCC(=O)NC1=CN=CC(=C1)C1=NN2C(S1)=NC(=CC2=O)N1CCNCC1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H18N8O2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LTVKZVGAALCRFW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72104447e0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB18766</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>71668132</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
